3-(Difluoromethoxy)benzyl bromide

C8H7BrF2OCAS 72768-95-7237.04 g/mol

Open in Covalent MOL file
OFFBr
Alkyl halideEther

Properties

Molecular formula
C8H7BrF2O
Molar mass
237.04 g/mol
Exact mass
235.9648 Da
logP
3.18Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number
72768-95-7
SMILES
C1=CC(=CC(=C1)OC(F)F)CBr
InChIKey
TZYKSTKEVLDYAP-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrF2O/c9-5-6-2-1-3-7(4-6)12-8(10)11/h1-4,8H,5H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-(Difluoromethoxy)benzyl bromide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methoxybenzyl bromide874-98-661 % similar 3-(Difluoromethoxy)phenylacetonitrile41429-18-959 % similar 3-(4-Fluorophenoxy)benzyl bromide65295-58-157 % similar 3-(Difluoromethoxy)bromobenzene262587-05-356 % similar 3-Phenoxybenzyl bromide51632-16-756 % similar 1-(Bromomethyl)-3-(trifluoromethoxy)benzene159689-88-056 % similar 3-Fluorobenzyl bromide456-41-753 % similar 3-Benzyloxybenzyl bromide1700-31-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-4-ethoxy-2,3-difluorobenzene156573-09-0 4-(Difluoromethoxy)benzyl bromide3447-53-8 2-(Difluoromethoxy)benzyl bromide85684-64-6

Elsewhere

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